CID 167042

14263-93-5

Structural Information

Molecular Formula

C₉H₈N₃O₂

SMILES

COC1=CC(=C(C=C1C#N)OC)[N+]#N

InChI

InChI=1S/C9H8N3O2/c1-13-8-4-7(12-11)9(14-2)3-6(8)5-10/h3-4H,1-2H3/q+1

InChIKey

SMAINMIHMWGFQE-UHFFFAOYSA-N

Compound name

4-cyano-2,5-dimethoxybenzenediazonium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.06165 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.06893	163.6
[M+Na]+	213.05087	173.6
[M+NH4]+	208.09547	165.0
[M+K]+	229.02481	163.9
[M-H]-	189.05437	155.3
[M+Na-2H]-	211.03632	164.1
[M]+	190.06110	161.7
[M]-	190.06220	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.